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Symmetry- and Gradient-enhanced Gaussian Process Regression for the Active Learning of Potential Energy Surfaces in Porous Materials https://arxiv.org/abs/2501.16475 #condmatmtrlsci #physicschemph #physicscompph
Symmetry- and Gradient-enhanced Gaussian Process Regression for the Active Learning of Potential Energy Surfaces in Porous Materials https://arxiv.org/abs/2501.16475 #condmatmtrlsci #physicschemph #physicscompph